SCHEMBL16019294

SCHEMBL16019294

Cc1oc2cccc3c4c(C)oc5cccc(c1c23)c54

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.39
EYA3 Q99504 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAOA P21397 4/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
PGAM1 P18669 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH2 P05091 1/20 0.35
CYP2C9 P11712 3/20 0.35
GAA P10253 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20067225 0.75 MAOA (0.50) CYP1A2MAOAKDM4EALDH1A1HPGD
SCHEMBL2195718 0.72 MAOA (0.54) MAOAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL24628122 0.70 MAOA (0.52) CYP1A2MAOAKDM4EALDH1A1HPGD
SCHEMBL29367854 0.70 MAOA (0.52) CYP1A2MAOAKDM4EALDH1A1HPGD
SCHEMBL183071 0.70 ALDH2 (0.52) CYP2C19EYA3MAOACA2KDM4E
SCHEMBL15998121 0.70 MAOA (0.36) CYP1A2CYP2A6MAOAKDM4EALDH1A1
SCHEMBL15998104 0.70 KDM4E (0.41) MAOACA2KDM4EALDH1A1HPGD
SCHEMBL30028309 0.70 ALDH2 (0.52) CYP2C19EYA3MAOACA2KDM4E
SCHEMBL8780801 0.68 ACHE (0.41) CYP2C19CYP1A2CYP2A6MAOACA2
SCHEMBL9205430 0.68 ELANE (0.37) CYP1A2CYP2A6CA2ALDH1A1ALDH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9450119-B2 Bibenzo[B]furan compound, photoelectric conversion material, and photoelectric conversion element ADEKA CORPORATION (JP) 2016-09-20 US disclosed
US-20140252278-A1 BIBENZO[B]FURAN COMPOUND, PHOTOELECTRIC CONVERSION MATERIAL, AND PHOTOELECTRIC CONVERSION ELEMENT ADEKA CORPORATION (JP) 2014-09-11 US disclosed